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Compound Detail

CHEMBL3039705

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COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039705
Phase Preclinical
Structure Type MOL
InChI Key YNQFUUYGAXWRRY-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.25
ALogP
6
HBA
1
HBD
62.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO5
MW 355.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.29

Data from ChEMBL 36 via Core Engine